3-methyladamantan-1-amine

• ChemBase ID: 61303
• Molecular Formular: C11H19N
• Molecular Mass: 165.27526
• Monoisotopic Mass: 165.15174961
• SMILES: C1C2CC3(CC1CC(C3)(C2)C)N
• Canonical SMILES: CC12CC3CC(C1)CC(C2)(C3)N
• InChI: InChI=1S/C11H19N/c1-10-3-8-2-9(4-10)6-11(12,5-8)7-10/h8-9H,2-7,12H2,1H3
• InChIKey: MWMFMCTUGUZSJJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyladamantan-1-amine
• IUPAC Traditional name: 1-aminoadamatane, 3-methyl
• Synonyms: (3-Methyl-1-adamantyl)amine hydrochloride; 3-Methyltricyclo[3.3.1.13,7]decan-1-amine Hydrochloride; 3-Methyl-1-adamantanamine Hydrochloride; Demethyl Memantine Hydrochloride

Database IDs

• CAS Number: 33103-93-4
• MDL Number: MFCD00667532
• PubChem SID: 162027044
• PubChem CID: 3010128

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.2642046
• LogD (pH = 7.4): -1.0809547
• Log P: 1.7659947
• Molar Refractivity: 50.0107 cm^3
• Polarizability: 20.35101 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMSO; Water
• Apperance: WHite Solid
• Melting Point: 297-300°C

Safety Information

• Storage Condition: -20°C Freezer
• Storage Warning: IRRITANT
• TSCA Listed: false

DETAILS

Toronto Research Chemicals - D231160

An analogue of Adamantane used as medicinal agent.

REFERENCES

• Wesemann, W., et al.: Eur. J. Cell Biol., 26, 158 (1981)